smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733761 563791639 /nfs/dbraw/zinc/79/16/39/563791639.db2.gz IQKGFKFFBFUVJB-KGLIPLIRSA-N 2 2 388.339 2.756 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000781906679 657087565 /nfs/dbraw/zinc/08/75/65/657087565.db2.gz AJCVFRXZVFJDBO-MAUKXSAKSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000781906679 657087569 /nfs/dbraw/zinc/08/75/69/657087569.db2.gz AJCVFRXZVFJDBO-MAUKXSAKSA-N 2 2 396.373 2.921 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000862249883 662277076 /nfs/dbraw/zinc/27/70/76/662277076.db2.gz FXZUWOPXAPFEHG-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000862249883 662277078 /nfs/dbraw/zinc/27/70/78/662277078.db2.gz FXZUWOPXAPFEHG-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702554343 655521680 /nfs/dbraw/zinc/52/16/80/655521680.db2.gz UNNJNENQALCDNG-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702554343 655521681 /nfs/dbraw/zinc/52/16/81/655521681.db2.gz UNNJNENQALCDNG-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)cc(F)c1O ZINC000756408427 655899523 /nfs/dbraw/zinc/89/95/23/655899523.db2.gz MMSGQNOVHNHSAQ-ZDUSSCGKSA-N 2 2 388.325 2.972 20 10 GFCDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882979958 663045991 /nfs/dbraw/zinc/04/59/91/663045991.db2.gz UMULNAIVGXXNKE-ZDUSSCGKSA-N 2 2 388.325 2.657 20 10 GFCDLP C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374253523 563365998 /nfs/dbraw/zinc/36/59/98/563365998.db2.gz IMAOBJXSPNTAJY-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374253523 563365999 /nfs/dbraw/zinc/36/59/99/563365999.db2.gz IMAOBJXSPNTAJY-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000799725079 659217264 /nfs/dbraw/zinc/21/72/64/659217264.db2.gz CVJURAWJSUSAMB-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000799725079 659217269 /nfs/dbraw/zinc/21/72/69/659217269.db2.gz CVJURAWJSUSAMB-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873226898 662804155 /nfs/dbraw/zinc/80/41/55/662804155.db2.gz DKNFHRWIOVLUDF-ONGXEEELSA-N 2 2 383.208 2.732 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873226898 662804156 /nfs/dbraw/zinc/80/41/56/662804156.db2.gz DKNFHRWIOVLUDF-ONGXEEELSA-N 2 2 383.208 2.732 20 10 GFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375021861 563388222 /nfs/dbraw/zinc/38/82/22/563388222.db2.gz PWFKMBRUZUEKFM-QAPCUYQASA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375021861 563388223 /nfs/dbraw/zinc/38/82/23/563388223.db2.gz PWFKMBRUZUEKFM-QAPCUYQASA-N 2 2 396.373 2.921 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528396 655901387 /nfs/dbraw/zinc/90/13/87/655901387.db2.gz YGVBRAFGMOMSSM-CZUORRHYSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528396 655901389 /nfs/dbraw/zinc/90/13/89/655901389.db2.gz YGVBRAFGMOMSSM-CZUORRHYSA-N 2 2 398.345 2.748 20 10 GFCDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000368589825 563874853 /nfs/dbraw/zinc/87/48/53/563874853.db2.gz ATOVZCJHHFWLJT-OAHLLOKOSA-N 2 2 382.346 2.614 20 10 GFCDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000368589825 563874860 /nfs/dbraw/zinc/87/48/60/563874860.db2.gz ATOVZCJHHFWLJT-OAHLLOKOSA-N 2 2 382.346 2.614 20 10 GFCDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733760 563791697 /nfs/dbraw/zinc/79/16/97/563791697.db2.gz IQKGFKFFBFUVJB-KBPBESRZSA-N 2 2 388.339 2.756 20 10 GFCDLP C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000862249885 662277616 /nfs/dbraw/zinc/27/76/16/662277616.db2.gz FXZUWOPXAPFEHG-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000862249885 662277619 /nfs/dbraw/zinc/27/76/19/662277619.db2.gz FXZUWOPXAPFEHG-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000883014746 663046627 /nfs/dbraw/zinc/04/66/27/663046627.db2.gz ZJNZGPFDUNMOQW-GFCCVEGCSA-N 2 2 387.293 2.884 20 10 GFCDLP Oc1cccc(Br)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000706812891 655522223 /nfs/dbraw/zinc/52/22/23/655522223.db2.gz GUXTXNNYLODHSM-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1cccc(Br)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000706812891 655522224 /nfs/dbraw/zinc/52/22/24/655522224.db2.gz GUXTXNNYLODHSM-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756408476 655899506 /nfs/dbraw/zinc/89/95/06/655899506.db2.gz OFVXIHFIJQVQRG-ZDUSSCGKSA-N 2 2 388.325 2.972 20 10 GFCDLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882991150 663046144 /nfs/dbraw/zinc/04/61/44/663046144.db2.gz NMLADWPCFBKCSZ-CQSZACIVSA-N 2 2 375.282 2.620 20 10 GFCDLP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882991150 663046146 /nfs/dbraw/zinc/04/61/46/663046146.db2.gz NMLADWPCFBKCSZ-CQSZACIVSA-N 2 2 375.282 2.620 20 10 GFCDLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756402793 655899354 /nfs/dbraw/zinc/89/93/54/655899354.db2.gz YVFSUNYONCAJKJ-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000883049827 663047813 /nfs/dbraw/zinc/04/78/13/663047813.db2.gz WNGPDPAGHPOQID-JKSUJKDBSA-N 2 2 387.293 2.761 20 10 GFCDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825173618 660413105 /nfs/dbraw/zinc/41/31/05/660413105.db2.gz OTNXDICRACCLMZ-UHFFFAOYSA-N 2 2 391.313 2.591 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371470984 563278480 /nfs/dbraw/zinc/27/84/80/563278480.db2.gz PZLJYXUNLFNKPF-OWCLPIDISA-N 2 2 399.329 2.847 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371470984 563278482 /nfs/dbraw/zinc/27/84/82/563278482.db2.gz PZLJYXUNLFNKPF-OWCLPIDISA-N 2 2 399.329 2.847 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374253522 563365897 /nfs/dbraw/zinc/36/58/97/563365897.db2.gz IMAOBJXSPNTAJY-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374253522 563365899 /nfs/dbraw/zinc/36/58/99/563365899.db2.gz IMAOBJXSPNTAJY-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1O ZINC000375516581 563407892 /nfs/dbraw/zinc/40/78/92/563407892.db2.gz DUIXIERWLOZXSP-OMXAPOSASA-N 2 2 393.285 2.559 20 10 GFCDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733763 563791669 /nfs/dbraw/zinc/79/16/69/563791669.db2.gz IQKGFKFFBFUVJB-ZIAGYGMSSA-N 2 2 388.339 2.756 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824894474 660404210 /nfs/dbraw/zinc/40/42/10/660404210.db2.gz GDWYKPZZPGDQEA-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824894474 660404211 /nfs/dbraw/zinc/40/42/11/660404211.db2.gz GDWYKPZZPGDQEA-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884512 655206033 /nfs/dbraw/zinc/20/60/33/655206033.db2.gz IFXLGWWVKPUGOD-HUUCEWRRSA-N 2 2 384.318 2.535 20 10 GFCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884512 655206034 /nfs/dbraw/zinc/20/60/34/655206034.db2.gz IFXLGWWVKPUGOD-HUUCEWRRSA-N 2 2 384.318 2.535 20 10 GFCDLP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)c(F)cc1O ZINC000756396982 655899181 /nfs/dbraw/zinc/89/91/81/655899181.db2.gz RATMKOAJKUWMBR-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000781906681 657087497 /nfs/dbraw/zinc/08/74/97/657087497.db2.gz AJCVFRXZVFJDBO-QAPCUYQASA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000781906681 657087502 /nfs/dbraw/zinc/08/75/02/657087502.db2.gz AJCVFRXZVFJDBO-QAPCUYQASA-N 2 2 396.373 2.921 20 10 GFCDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3c(O)cccc3Br)ccn2)CC1 ZINC000858099597 662098662 /nfs/dbraw/zinc/09/86/62/662098662.db2.gz ROAFEBCRBZSHOA-UHFFFAOYSA-N 2 2 391.313 2.591 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000883049826 663047734 /nfs/dbraw/zinc/04/77/34/663047734.db2.gz WNGPDPAGHPOQID-HZPDHXFCSA-N 2 2 387.293 2.761 20 10 GFCDLP CCO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964465 664699543 /nfs/dbraw/zinc/69/95/43/664699543.db2.gz XCWFTPYJLVUBGZ-DGCLKSJQSA-N 2 2 375.307 2.781 20 10 GFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528391 655901420 /nfs/dbraw/zinc/90/14/20/655901420.db2.gz YGVBRAFGMOMSSM-BBRMVZONSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528391 655901421 /nfs/dbraw/zinc/90/14/21/655901421.db2.gz YGVBRAFGMOMSSM-BBRMVZONSA-N 2 2 398.345 2.748 20 10 GFCDLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000793369466 658391242 /nfs/dbraw/zinc/39/12/42/658391242.db2.gz HVINLRMEZPXUMH-UHFFFAOYSA-N 2 2 378.270 2.881 20 10 GFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375021865 563387953 /nfs/dbraw/zinc/38/79/53/563387953.db2.gz PWFKMBRUZUEKFM-YJBOKZPZSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375021865 563387955 /nfs/dbraw/zinc/38/79/55/563387955.db2.gz PWFKMBRUZUEKFM-YJBOKZPZSA-N 2 2 396.373 2.921 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000848528158 661661383 /nfs/dbraw/zinc/66/13/83/661661383.db2.gz JHEVRFLWLJVBAO-FPMFFAJLSA-N 2 2 385.302 2.677 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000848528158 661661386 /nfs/dbraw/zinc/66/13/86/661661386.db2.gz JHEVRFLWLJVBAO-FPMFFAJLSA-N 2 2 385.302 2.677 20 10 GFCDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862241786 662276726 /nfs/dbraw/zinc/27/67/26/662276726.db2.gz ZIANDICMGADSQN-HNNXBMFYSA-N 2 2 382.346 2.757 20 10 GFCDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862241786 662276728 /nfs/dbraw/zinc/27/67/28/662276728.db2.gz ZIANDICMGADSQN-HNNXBMFYSA-N 2 2 382.346 2.757 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371470983 563278354 /nfs/dbraw/zinc/27/83/54/563278354.db2.gz PZLJYXUNLFNKPF-HRCADAONSA-N 2 2 399.329 2.847 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371470983 563278356 /nfs/dbraw/zinc/27/83/56/563278356.db2.gz PZLJYXUNLFNKPF-HRCADAONSA-N 2 2 399.329 2.847 20 10 GFCDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756410555 655899498 /nfs/dbraw/zinc/89/94/98/655899498.db2.gz HJQTXMKCLWWPHE-QWHCGFSZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Br)ccc1O ZINC000756561079 655901917 /nfs/dbraw/zinc/90/19/17/655901917.db2.gz ALGDUXSMFYQMCI-ZDUSSCGKSA-N 2 2 398.345 2.748 20 10 GFCDLP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)CC1 ZINC000882993776 663046263 /nfs/dbraw/zinc/04/62/63/663046263.db2.gz HQOZRPIRRNOUTK-AWEZNQCLSA-N 2 2 386.309 2.552 20 10 GFCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(O)cccc3Br)cn2)CC1 ZINC000858093885 662098389 /nfs/dbraw/zinc/09/83/89/662098389.db2.gz ABQDWGSTDWIETP-UHFFFAOYSA-N 2 2 391.313 2.591 20 10 GFCDLP COCC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC[NH2+]CC1 ZINC000817975485 660212750 /nfs/dbraw/zinc/21/27/50/660212750.db2.gz VLLWWSCHERMWAQ-NSHDSACASA-N 2 2 375.282 2.961 20 10 GFCDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000769999687 656303657 /nfs/dbraw/zinc/30/36/57/656303657.db2.gz BLXSMJIIYOVCQN-STQMWFEESA-N 2 2 388.325 2.970 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000781906676 657087511 /nfs/dbraw/zinc/08/75/11/657087511.db2.gz AJCVFRXZVFJDBO-CRAIPNDOSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000781906676 657087517 /nfs/dbraw/zinc/08/75/17/657087517.db2.gz AJCVFRXZVFJDBO-CRAIPNDOSA-N 2 2 396.373 2.921 20 10 GFCDLP CCO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964467 664699441 /nfs/dbraw/zinc/69/94/41/664699441.db2.gz XCWFTPYJLVUBGZ-WCQYABFASA-N 2 2 375.307 2.781 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371470981 563278407 /nfs/dbraw/zinc/27/84/07/563278407.db2.gz PZLJYXUNLFNKPF-ARFHVFGLSA-N 2 2 399.329 2.847 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371470981 563278409 /nfs/dbraw/zinc/27/84/09/563278409.db2.gz PZLJYXUNLFNKPF-ARFHVFGLSA-N 2 2 399.329 2.847 20 10 GFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)CCCO1 ZINC000883104418 663049267 /nfs/dbraw/zinc/04/92/67/663049267.db2.gz ZEEXSJAAHBMIAE-GFCCVEGCSA-N 2 2 375.282 2.884 20 10 GFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)CCCO1 ZINC000883104418 663049269 /nfs/dbraw/zinc/04/92/69/663049269.db2.gz ZEEXSJAAHBMIAE-GFCCVEGCSA-N 2 2 375.282 2.884 20 10 GFCDLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1O ZINC000375516580 563408277 /nfs/dbraw/zinc/40/82/77/563408277.db2.gz DUIXIERWLOZXSP-MNRXQERYSA-N 2 2 393.285 2.559 20 10 GFCDLP Oc1cccc(Br)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000706812893 655522218 /nfs/dbraw/zinc/52/22/18/655522218.db2.gz GUXTXNNYLODHSM-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1cccc(Br)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000706812893 655522219 /nfs/dbraw/zinc/52/22/19/655522219.db2.gz GUXTXNNYLODHSM-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C[NH3+])C1 ZINC000843122033 661370383 /nfs/dbraw/zinc/37/03/83/661370383.db2.gz NQZDEUHXXMBFCY-MRXNPFEDSA-N 2 2 381.362 2.514 20 10 GFCDLP C[N@H+]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C[NH3+])C1 ZINC000843122033 661370386 /nfs/dbraw/zinc/37/03/86/661370386.db2.gz NQZDEUHXXMBFCY-MRXNPFEDSA-N 2 2 381.362 2.514 20 10 GFCDLP C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824894478 660404186 /nfs/dbraw/zinc/40/41/86/660404186.db2.gz GDWYKPZZPGDQEA-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824894478 660404187 /nfs/dbraw/zinc/40/41/87/660404187.db2.gz GDWYKPZZPGDQEA-WMLDXEAASA-N 2 2 382.346 2.613 20 10 GFCDLP CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000743870879 655732224 /nfs/dbraw/zinc/73/22/24/655732224.db2.gz FPDRAJFVLQGKSI-AWEZNQCLSA-N 2 2 398.345 2.529 20 10 GFCDLP CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000743870879 655732226 /nfs/dbraw/zinc/73/22/26/655732226.db2.gz FPDRAJFVLQGKSI-AWEZNQCLSA-N 2 2 398.345 2.529 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000848528160 661661309 /nfs/dbraw/zinc/66/13/09/661661309.db2.gz JHEVRFLWLJVBAO-UBHSHLNASA-N 2 2 385.302 2.677 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000848528160 661661319 /nfs/dbraw/zinc/66/13/19/661661319.db2.gz JHEVRFLWLJVBAO-UBHSHLNASA-N 2 2 385.302 2.677 20 10 GFCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848526948 661661467 /nfs/dbraw/zinc/66/14/67/661661467.db2.gz MQOHDNQHBUATAJ-GFCCVEGCSA-N 2 2 387.318 2.925 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371470982 563278437 /nfs/dbraw/zinc/27/84/37/563278437.db2.gz PZLJYXUNLFNKPF-BZUAXINKSA-N 2 2 399.329 2.847 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371470982 563278440 /nfs/dbraw/zinc/27/84/40/563278440.db2.gz PZLJYXUNLFNKPF-BZUAXINKSA-N 2 2 399.329 2.847 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827857163 660520221 /nfs/dbraw/zinc/52/02/21/660520221.db2.gz XPAYEPAIRAVXIC-OAHLLOKOSA-N 2 2 387.318 2.706 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827857163 660520225 /nfs/dbraw/zinc/52/02/25/660520225.db2.gz XPAYEPAIRAVXIC-OAHLLOKOSA-N 2 2 387.318 2.706 20 10 GFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528456 655901379 /nfs/dbraw/zinc/90/13/79/655901379.db2.gz YOPUAKCHBCQWNC-XJKSGUPXSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528456 655901380 /nfs/dbraw/zinc/90/13/80/655901380.db2.gz YOPUAKCHBCQWNC-XJKSGUPXSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756550388 655901828 /nfs/dbraw/zinc/90/18/28/655901828.db2.gz RGFWWCBSZXESNY-CYBMUJFWSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756550388 655901831 /nfs/dbraw/zinc/90/18/31/655901831.db2.gz RGFWWCBSZXESNY-CYBMUJFWSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000769999685 656303552 /nfs/dbraw/zinc/30/35/52/656303552.db2.gz BLXSMJIIYOVCQN-OLZOCXBDSA-N 2 2 388.325 2.970 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000781894582 657087134 /nfs/dbraw/zinc/08/71/34/657087134.db2.gz IQQOSOQXGQJQOF-UHFFFAOYSA-N 2 2 382.346 2.677 20 10 GFCDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000368589822 563875006 /nfs/dbraw/zinc/87/50/06/563875006.db2.gz ATOVZCJHHFWLJT-HNNXBMFYSA-N 2 2 382.346 2.614 20 10 GFCDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000368589822 563875009 /nfs/dbraw/zinc/87/50/09/563875009.db2.gz ATOVZCJHHFWLJT-HNNXBMFYSA-N 2 2 382.346 2.614 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000841087347 661232082 /nfs/dbraw/zinc/23/20/82/661232082.db2.gz KWFBMBMVKJBBSW-UHFFFAOYSA-N 2 2 382.346 2.769 20 10 GFCDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000769999683 656303612 /nfs/dbraw/zinc/30/36/12/656303612.db2.gz BLXSMJIIYOVCQN-CHWSQXEVSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824894476 660404195 /nfs/dbraw/zinc/40/41/95/660404195.db2.gz GDWYKPZZPGDQEA-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824894476 660404196 /nfs/dbraw/zinc/40/41/96/660404196.db2.gz GDWYKPZZPGDQEA-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000769949495 656302018 /nfs/dbraw/zinc/30/20/18/656302018.db2.gz VKKBNLNNBNGADA-UHFFFAOYSA-N 2 2 384.362 2.969 20 10 GFCDLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000863646031 662342581 /nfs/dbraw/zinc/34/25/81/662342581.db2.gz AMHQRXCNOMNKKA-UHFFFAOYSA-N 2 2 396.123 2.585 20 10 GFCDLP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000863646031 662342574 /nfs/dbraw/zinc/34/25/74/662342574.db2.gz AMHQRXCNOMNKKA-UHFFFAOYSA-N 2 2 396.123 2.585 20 10 GFCDLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756400012 655899343 /nfs/dbraw/zinc/89/93/43/655899343.db2.gz SUAWQUZZMPWMLM-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848528161 661661520 /nfs/dbraw/zinc/66/15/20/661661520.db2.gz JHEVRFLWLJVBAO-YUTCNCBUSA-N 2 2 385.302 2.677 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848528161 661661526 /nfs/dbraw/zinc/66/15/26/661661526.db2.gz JHEVRFLWLJVBAO-YUTCNCBUSA-N 2 2 385.302 2.677 20 10 GFCDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733762 563791607 /nfs/dbraw/zinc/79/16/07/563791607.db2.gz IQKGFKFFBFUVJB-UONOGXRCSA-N 2 2 388.339 2.756 20 10 GFCDLP COCC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC[NH2+]CC1 ZINC000817974595 660212715 /nfs/dbraw/zinc/21/27/15/660212715.db2.gz MOQBNFISWKUWDX-NSHDSACASA-N 2 2 375.282 2.961 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702554344 655521676 /nfs/dbraw/zinc/52/16/76/655521676.db2.gz UNNJNENQALCDNG-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702554344 655521677 /nfs/dbraw/zinc/52/16/77/655521677.db2.gz UNNJNENQALCDNG-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882991149 663046168 /nfs/dbraw/zinc/04/61/68/663046168.db2.gz NMLADWPCFBKCSZ-AWEZNQCLSA-N 2 2 375.282 2.620 20 10 GFCDLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882991149 663046170 /nfs/dbraw/zinc/04/61/70/663046170.db2.gz NMLADWPCFBKCSZ-AWEZNQCLSA-N 2 2 375.282 2.620 20 10 GFCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884513 655205971 /nfs/dbraw/zinc/20/59/71/655205971.db2.gz IFXLGWWVKPUGOD-LSDHHAIUSA-N 2 2 384.318 2.535 20 10 GFCDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884513 655205974 /nfs/dbraw/zinc/20/59/74/655205974.db2.gz IFXLGWWVKPUGOD-LSDHHAIUSA-N 2 2 384.318 2.535 20 10 GFCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2F)CC1 ZINC000921704897 664562554 /nfs/dbraw/zinc/56/25/54/664562554.db2.gz NXNWVFHLJOSVTQ-UHFFFAOYSA-N 2 2 396.308 2.743 20 10 GFCDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093146541 655017626 /nfs/dbraw/zinc/01/76/26/655017626.db2.gz DUICHHIHNXGZPN-QGZVFWFLSA-N 2 2 382.346 2.757 20 10 GFCDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093146541 655017630 /nfs/dbraw/zinc/01/76/30/655017630.db2.gz DUICHHIHNXGZPN-QGZVFWFLSA-N 2 2 382.346 2.757 20 10 GFCDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000377617602 563480844 /nfs/dbraw/zinc/48/08/44/563480844.db2.gz AMZKKLOZBKVNMT-KRWDZBQOSA-N 2 2 382.346 2.757 20 10 GFCDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000377617602 563480850 /nfs/dbraw/zinc/48/08/50/563480850.db2.gz AMZKKLOZBKVNMT-KRWDZBQOSA-N 2 2 382.346 2.757 20 10 GFCDLP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882979957 663045904 /nfs/dbraw/zinc/04/59/04/663045904.db2.gz UMULNAIVGXXNKE-CYBMUJFWSA-N 2 2 388.325 2.657 20 10 GFCDLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883043514 663047521 /nfs/dbraw/zinc/04/75/21/663047521.db2.gz MEIBBFYCLXHUAI-UHFFFAOYSA-N 2 2 375.282 2.619 20 10 GFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375021856 563387982 /nfs/dbraw/zinc/38/79/82/563387982.db2.gz PWFKMBRUZUEKFM-MAUKXSAKSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375021856 563387985 /nfs/dbraw/zinc/38/79/85/563387985.db2.gz PWFKMBRUZUEKFM-MAUKXSAKSA-N 2 2 396.373 2.921 20 10 GFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528452 655901399 /nfs/dbraw/zinc/90/13/99/655901399.db2.gz YOPUAKCHBCQWNC-BBRMVZONSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528452 655901400 /nfs/dbraw/zinc/90/14/00/655901400.db2.gz YOPUAKCHBCQWNC-BBRMVZONSA-N 2 2 398.345 2.748 20 10 GFCDLP CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000743870880 655732195 /nfs/dbraw/zinc/73/21/95/655732195.db2.gz FPDRAJFVLQGKSI-CQSZACIVSA-N 2 2 398.345 2.529 20 10 GFCDLP CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000743870880 655732199 /nfs/dbraw/zinc/73/21/99/655732199.db2.gz FPDRAJFVLQGKSI-CQSZACIVSA-N 2 2 398.345 2.529 20 10 GFCDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000756563994 655902146 /nfs/dbraw/zinc/90/21/46/655902146.db2.gz QQSFSFCSIIMAJI-CYBMUJFWSA-N 2 2 398.345 2.748 20 10 GFCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884510 655205929 /nfs/dbraw/zinc/20/59/29/655205929.db2.gz IFXLGWWVKPUGOD-GJZGRUSLSA-N 2 2 384.318 2.535 20 10 GFCDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884510 655205930 /nfs/dbraw/zinc/20/59/30/655205930.db2.gz IFXLGWWVKPUGOD-GJZGRUSLSA-N 2 2 384.318 2.535 20 10 GFCDLP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894016975 663437384 /nfs/dbraw/zinc/43/73/84/663437384.db2.gz KLHAYKKOORTCJY-UHFFFAOYSA-N 2 2 375.282 2.836 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374253521 563366174 /nfs/dbraw/zinc/36/61/74/563366174.db2.gz IMAOBJXSPNTAJY-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374253521 563366178 /nfs/dbraw/zinc/36/61/78/563366178.db2.gz IMAOBJXSPNTAJY-PBHICJAKSA-N 2 2 382.346 2.613 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000781909574 657088310 /nfs/dbraw/zinc/08/83/10/657088310.db2.gz FFPMRXSQWAACAX-MRXNPFEDSA-N 2 2 382.346 2.675 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909574 657088315 /nfs/dbraw/zinc/08/83/15/657088315.db2.gz FFPMRXSQWAACAX-MRXNPFEDSA-N 2 2 382.346 2.675 20 10 GFCDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093146545 655017476 /nfs/dbraw/zinc/01/74/76/655017476.db2.gz DUICHHIHNXGZPN-KRWDZBQOSA-N 2 2 382.346 2.757 20 10 GFCDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093146545 655017479 /nfs/dbraw/zinc/01/74/79/655017479.db2.gz DUICHHIHNXGZPN-KRWDZBQOSA-N 2 2 382.346 2.757 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000781909567 657088370 /nfs/dbraw/zinc/08/83/70/657088370.db2.gz FFPMRXSQWAACAX-INIZCTEOSA-N 2 2 382.346 2.675 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909567 657088376 /nfs/dbraw/zinc/08/83/76/657088376.db2.gz FFPMRXSQWAACAX-INIZCTEOSA-N 2 2 382.346 2.675 20 10 GFCDLP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882960351 663045452 /nfs/dbraw/zinc/04/54/52/663045452.db2.gz HLZIKZJJRUWJCE-UHFFFAOYSA-N 2 2 375.282 2.884 20 10 GFCDLP COc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000850396161 661774574 /nfs/dbraw/zinc/77/45/74/661774574.db2.gz HJHVTUJAQXKVEC-HNNXBMFYSA-N 2 2 385.302 2.506 20 10 GFCDLP C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000862249886 662277532 /nfs/dbraw/zinc/27/75/32/662277532.db2.gz FXZUWOPXAPFEHG-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000862249886 662277536 /nfs/dbraw/zinc/27/75/36/662277536.db2.gz FXZUWOPXAPFEHG-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226895 662804171 /nfs/dbraw/zinc/80/41/71/662804171.db2.gz DKNFHRWIOVLUDF-GXSJLCMTSA-N 2 2 383.208 2.732 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226895 662804172 /nfs/dbraw/zinc/80/41/72/662804172.db2.gz DKNFHRWIOVLUDF-GXSJLCMTSA-N 2 2 383.208 2.732 20 10 GFCDLP CC(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882886682 663044601 /nfs/dbraw/zinc/04/46/01/663044601.db2.gz HEMZKZXHEOGPNV-INIZCTEOSA-N 2 2 388.325 2.655 20 10 GFCDLP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756550389 655901713 /nfs/dbraw/zinc/90/17/13/655901713.db2.gz RGFWWCBSZXESNY-ZDUSSCGKSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756550389 655901715 /nfs/dbraw/zinc/90/17/15/655901715.db2.gz RGFWWCBSZXESNY-ZDUSSCGKSA-N 2 2 388.325 2.972 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000883014747 663046583 /nfs/dbraw/zinc/04/65/83/663046583.db2.gz ZJNZGPFDUNMOQW-LBPRGKRZSA-N 2 2 387.293 2.884 20 10 GFCDLP COc1c[nH+]ccc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862353512 662281996 /nfs/dbraw/zinc/28/19/96/662281996.db2.gz PRPDICDCDCKZKI-UHFFFAOYSA-N 2 2 378.270 2.881 20 10 GFCDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)ccc1O ZINC000375510879 563407780 /nfs/dbraw/zinc/40/77/80/563407780.db2.gz XEEFHCNFKGKOBZ-OMXAPOSASA-N 2 2 393.285 2.559 20 10 GFCDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000291031964 563730044 /nfs/dbraw/zinc/73/00/44/563730044.db2.gz JDDNGQGQCHLZMV-UHFFFAOYSA-N 2 2 385.302 2.662 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000825102584 660410914 /nfs/dbraw/zinc/41/09/14/660410914.db2.gz PKGARUMJVWCSCY-GOSISDBHSA-N 2 2 391.309 2.664 20 10 GFCDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000825102584 660410915 /nfs/dbraw/zinc/41/09/15/660410915.db2.gz PKGARUMJVWCSCY-GOSISDBHSA-N 2 2 391.309 2.664 20 10 GFCDLP COc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000850396162 661774656 /nfs/dbraw/zinc/77/46/56/661774656.db2.gz HJHVTUJAQXKVEC-OAHLLOKOSA-N 2 2 385.302 2.506 20 10 GFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375021855 563387888 /nfs/dbraw/zinc/38/78/88/563387888.db2.gz PWFKMBRUZUEKFM-CRAIPNDOSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375021855 563387890 /nfs/dbraw/zinc/38/78/90/563387890.db2.gz PWFKMBRUZUEKFM-CRAIPNDOSA-N 2 2 396.373 2.921 20 10 GFCDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000820087517 660280405 /nfs/dbraw/zinc/28/04/05/660280405.db2.gz WYLLZLTYJKMHNM-LBPRGKRZSA-N 2 2 391.343 2.770 20 10 GFCDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000820087517 660280407 /nfs/dbraw/zinc/28/04/07/660280407.db2.gz WYLLZLTYJKMHNM-LBPRGKRZSA-N 2 2 391.343 2.770 20 10 GFCDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756410554 655899419 /nfs/dbraw/zinc/89/94/19/655899419.db2.gz HJQTXMKCLWWPHE-OLZOCXBDSA-N 2 2 388.325 2.970 20 10 GFCDLP Oc1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702652546 655521628 /nfs/dbraw/zinc/52/16/28/655521628.db2.gz MARNAOGPRDELOB-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702652546 655521630 /nfs/dbraw/zinc/52/16/30/655521630.db2.gz MARNAOGPRDELOB-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)c(F)cc1O ZINC000756408856 655899519 /nfs/dbraw/zinc/89/95/19/655899519.db2.gz UATOYSSVULMHEA-ZDUSSCGKSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000769999686 656303578 /nfs/dbraw/zinc/30/35/78/656303578.db2.gz BLXSMJIIYOVCQN-QWHCGFSZSA-N 2 2 388.325 2.970 20 10 GFCDLP Cc1cc(Br)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000775685804 656664433 /nfs/dbraw/zinc/66/44/33/656664433.db2.gz WMBXTKANGRYZOG-QGZVFWFLSA-N 2 2 382.346 2.675 20 10 GFCDLP Cc1cc(Br)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000775685804 656664444 /nfs/dbraw/zinc/66/44/44/656664444.db2.gz WMBXTKANGRYZOG-QGZVFWFLSA-N 2 2 382.346 2.675 20 10 GFCDLP COCC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC[NH2+]CC1 ZINC000817974481 660212736 /nfs/dbraw/zinc/21/27/36/660212736.db2.gz MOQBNFISWKUWDX-LLVKDONJSA-N 2 2 375.282 2.961 20 10 GFCDLP C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)CN1CC[NH+](C)CC1 ZINC000756535435 655901681 /nfs/dbraw/zinc/90/16/81/655901681.db2.gz QBKBFIWJSBGQNE-CHWSQXEVSA-N 2 2 388.325 2.828 20 10 GFCDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883139355 663050348 /nfs/dbraw/zinc/05/03/48/663050348.db2.gz JZZIALWODLKGAW-UHFFFAOYSA-N 2 2 388.325 2.800 20 10 GFCDLP CN1CC[NH+](CC2CC[NH+](Cc3cccc(Br)c3O)CC2)CC1 ZINC000809736635 659937732 /nfs/dbraw/zinc/93/77/32/659937732.db2.gz CMNMIJWCEWYOLC-UHFFFAOYSA-N 2 2 382.346 2.614 20 10 GFCDLP Cc1cc(Br)c(O)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877746374 662882807 /nfs/dbraw/zinc/88/28/07/662882807.db2.gz MZCMJBNXIKTGPW-UHFFFAOYSA-N 2 2 382.346 2.675 20 10 GFCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884508 655205997 /nfs/dbraw/zinc/20/59/97/655205997.db2.gz IFXLGWWVKPUGOD-CABCVRRESA-N 2 2 384.318 2.535 20 10 GFCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000274884508 655206000 /nfs/dbraw/zinc/20/60/00/655206000.db2.gz IFXLGWWVKPUGOD-CABCVRRESA-N 2 2 384.318 2.535 20 10 GFCDLP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)cc(F)c1O ZINC000756408426 655899443 /nfs/dbraw/zinc/89/94/43/655899443.db2.gz MMSGQNOVHNHSAQ-CYBMUJFWSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756535439 655901598 /nfs/dbraw/zinc/90/15/98/655901598.db2.gz QBKBFIWJSBGQNE-QWHCGFSZSA-N 2 2 388.325 2.828 20 10 GFCDLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000799726747 659217144 /nfs/dbraw/zinc/21/71/44/659217144.db2.gz RSAZKRGCAKJKON-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000799726747 659217149 /nfs/dbraw/zinc/21/71/49/659217149.db2.gz RSAZKRGCAKJKON-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000799726745 659217544 /nfs/dbraw/zinc/21/75/44/659217544.db2.gz RSAZKRGCAKJKON-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000799726745 659217555 /nfs/dbraw/zinc/21/75/55/659217555.db2.gz RSAZKRGCAKJKON-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)c(F)cc1O ZINC000756638932 655903438 /nfs/dbraw/zinc/90/34/38/655903438.db2.gz UIBJBLBLBODDOY-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000863544026 662335988 /nfs/dbraw/zinc/33/59/88/662335988.db2.gz IUJWDOOQJVJVQT-VIFPVBQESA-N 2 2 396.123 2.804 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827857162 660520132 /nfs/dbraw/zinc/52/01/32/660520132.db2.gz XPAYEPAIRAVXIC-HNNXBMFYSA-N 2 2 387.318 2.706 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827857162 660520133 /nfs/dbraw/zinc/52/01/33/660520133.db2.gz XPAYEPAIRAVXIC-HNNXBMFYSA-N 2 2 387.318 2.706 20 10 GFCDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000377617604 563481107 /nfs/dbraw/zinc/48/11/07/563481107.db2.gz AMZKKLOZBKVNMT-QGZVFWFLSA-N 2 2 382.346 2.757 20 10 GFCDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000377617604 563481111 /nfs/dbraw/zinc/48/11/11/563481111.db2.gz AMZKKLOZBKVNMT-QGZVFWFLSA-N 2 2 382.346 2.757 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873226896 662804199 /nfs/dbraw/zinc/80/41/99/662804199.db2.gz DKNFHRWIOVLUDF-KOLCDFICSA-N 2 2 383.208 2.732 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873226896 662804200 /nfs/dbraw/zinc/80/42/00/662804200.db2.gz DKNFHRWIOVLUDF-KOLCDFICSA-N 2 2 383.208 2.732 20 10 GFCDLP CCO[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964469 664699494 /nfs/dbraw/zinc/69/94/94/664699494.db2.gz XCWFTPYJLVUBGZ-YPMHNXCESA-N 2 2 375.307 2.781 20 10 GFCDLP Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702654933 655521634 /nfs/dbraw/zinc/52/16/34/655521634.db2.gz ZEUZTYUWFJHRSA-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702654933 655521636 /nfs/dbraw/zinc/52/16/36/655521636.db2.gz ZEUZTYUWFJHRSA-LJQANCHMSA-N 2 2 391.309 2.881 20 10 GFCDLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756402791 655899306 /nfs/dbraw/zinc/89/93/06/655899306.db2.gz YVFSUNYONCAJKJ-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)c(F)cc1O ZINC000756408854 655899425 /nfs/dbraw/zinc/89/94/25/655899425.db2.gz UATOYSSVULMHEA-CYBMUJFWSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000799725082 659217423 /nfs/dbraw/zinc/21/74/23/659217423.db2.gz CVJURAWJSUSAMB-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000799725082 659217433 /nfs/dbraw/zinc/21/74/33/659217433.db2.gz CVJURAWJSUSAMB-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848526949 661661395 /nfs/dbraw/zinc/66/13/95/661661395.db2.gz MQOHDNQHBUATAJ-LBPRGKRZSA-N 2 2 387.318 2.925 20 10 GFCDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858111955 662099282 /nfs/dbraw/zinc/09/92/82/662099282.db2.gz ZZTVZMRHTYUQND-UHFFFAOYSA-N 2 2 391.313 2.591 20 10 GFCDLP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(Br)c1O ZINC000863547153 662336305 /nfs/dbraw/zinc/33/63/05/662336305.db2.gz PKKCLBRCLXYAGY-VIFPVBQESA-N 2 2 396.123 2.933 20 10 GFCDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)cc(Cl)c3O)CC2)CC1 ZINC000289949030 563692432 /nfs/dbraw/zinc/69/24/32/563692432.db2.gz XTADFPFREZFLRB-UHFFFAOYSA-N 2 2 386.323 2.685 20 10 GFCDLP Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702654932 655521670 /nfs/dbraw/zinc/52/16/70/655521670.db2.gz ZEUZTYUWFJHRSA-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702654932 655521671 /nfs/dbraw/zinc/52/16/71/655521671.db2.gz ZEUZTYUWFJHRSA-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756410553 655899437 /nfs/dbraw/zinc/89/94/37/655899437.db2.gz HJQTXMKCLWWPHE-CHWSQXEVSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)CCCO1 ZINC000883104419 663049349 /nfs/dbraw/zinc/04/93/49/663049349.db2.gz ZEEXSJAAHBMIAE-LBPRGKRZSA-N 2 2 375.282 2.884 20 10 GFCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)CCCO1 ZINC000883104419 663049351 /nfs/dbraw/zinc/04/93/51/663049351.db2.gz ZEEXSJAAHBMIAE-LBPRGKRZSA-N 2 2 375.282 2.884 20 10 GFCDLP CCO[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964464 664699450 /nfs/dbraw/zinc/69/94/50/664699450.db2.gz XCWFTPYJLVUBGZ-AAEUAGOBSA-N 2 2 375.307 2.781 20 10 GFCDLP Cc1cc(Br)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000775685802 656664740 /nfs/dbraw/zinc/66/47/40/656664740.db2.gz WMBXTKANGRYZOG-KRWDZBQOSA-N 2 2 382.346 2.675 20 10 GFCDLP Cc1cc(Br)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000775685802 656664758 /nfs/dbraw/zinc/66/47/58/656664758.db2.gz WMBXTKANGRYZOG-KRWDZBQOSA-N 2 2 382.346 2.675 20 10 GFCDLP C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000862249884 662277024 /nfs/dbraw/zinc/27/70/24/662277024.db2.gz FXZUWOPXAPFEHG-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000862249884 662277027 /nfs/dbraw/zinc/27/70/27/662277027.db2.gz FXZUWOPXAPFEHG-RHSMWYFYSA-N 2 2 382.346 2.613 20 10 GFCDLP CN(CC[N@H+](C)Cc1cc(Br)cc(F)c1O)C1CC[NH+](C)CC1 ZINC000894766097 663480449 /nfs/dbraw/zinc/48/04/49/663480449.db2.gz PGGBAFDDDGTXRG-UHFFFAOYSA-N 2 2 388.325 2.752 20 10 GFCDLP CN(CC[N@@H+](C)Cc1cc(Br)cc(F)c1O)C1CC[NH+](C)CC1 ZINC000894766097 663480452 /nfs/dbraw/zinc/48/04/52/663480452.db2.gz PGGBAFDDDGTXRG-UHFFFAOYSA-N 2 2 388.325 2.752 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000781906682 657088656 /nfs/dbraw/zinc/08/86/56/657088656.db2.gz AJCVFRXZVFJDBO-YJBOKZPZSA-N 2 2 396.373 2.921 20 10 GFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000781906682 657088662 /nfs/dbraw/zinc/08/86/62/657088662.db2.gz AJCVFRXZVFJDBO-YJBOKZPZSA-N 2 2 396.373 2.921 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848528159 661661599 /nfs/dbraw/zinc/66/15/99/661661599.db2.gz JHEVRFLWLJVBAO-IACUBPJLSA-N 2 2 385.302 2.677 20 10 GFCDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848528159 661661600 /nfs/dbraw/zinc/66/16/00/661661600.db2.gz JHEVRFLWLJVBAO-IACUBPJLSA-N 2 2 385.302 2.677 20 10 GFCDLP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(Br)c1O ZINC000863547148 662336275 /nfs/dbraw/zinc/33/62/75/662336275.db2.gz PKKCLBRCLXYAGY-SECBINFHSA-N 2 2 396.123 2.933 20 10 GFCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)CC1 ZINC000865849310 662447311 /nfs/dbraw/zinc/44/73/11/662447311.db2.gz NUTLGJAAGKVTBB-UHFFFAOYSA-N 2 2 381.343 2.947 20 10 GFCDLP COCC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC[NH2+]CC1 ZINC000817975484 660212792 /nfs/dbraw/zinc/21/27/92/660212792.db2.gz VLLWWSCHERMWAQ-LLVKDONJSA-N 2 2 375.282 2.961 20 10 GFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528399 655901320 /nfs/dbraw/zinc/90/13/20/655901320.db2.gz YGVBRAFGMOMSSM-XJKSGUPXSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528399 655901321 /nfs/dbraw/zinc/90/13/21/655901321.db2.gz YGVBRAFGMOMSSM-XJKSGUPXSA-N 2 2 398.345 2.748 20 10 GFCDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756410556 655899526 /nfs/dbraw/zinc/89/95/26/655899526.db2.gz HJQTXMKCLWWPHE-STQMWFEESA-N 2 2 388.325 2.970 20 10 GFCDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000812766361 660034534 /nfs/dbraw/zinc/03/45/34/660034534.db2.gz MXAHJNZGCIDGCW-UHFFFAOYSA-N 2 2 385.302 2.662 20 10 GFCDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825753359 660440561 /nfs/dbraw/zinc/44/05/61/660440561.db2.gz QOPDTQKKFKTEKG-UHFFFAOYSA-N 2 2 378.270 2.881 20 10 GFCDLP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000863544025 662335949 /nfs/dbraw/zinc/33/59/49/662335949.db2.gz IUJWDOOQJVJVQT-SECBINFHSA-N 2 2 396.123 2.804 20 10 GFCDLP Oc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980368 663814903 /nfs/dbraw/zinc/81/49/03/663814903.db2.gz PKVRLKHYQTUZNN-IYBDPMFKSA-N 2 2 380.330 2.555 20 10 GFCDLP Oc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980368 663814906 /nfs/dbraw/zinc/81/49/06/663814906.db2.gz PKVRLKHYQTUZNN-IYBDPMFKSA-N 2 2 380.330 2.555 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000883049824 663047637 /nfs/dbraw/zinc/04/76/37/663047637.db2.gz WNGPDPAGHPOQID-CVEARBPZSA-N 2 2 387.293 2.761 20 10 GFCDLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756400013 655899283 /nfs/dbraw/zinc/89/92/83/655899283.db2.gz SUAWQUZZMPWMLM-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756408475 655899478 /nfs/dbraw/zinc/89/94/78/655899478.db2.gz OFVXIHFIJQVQRG-CYBMUJFWSA-N 2 2 388.325 2.972 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528453 655901352 /nfs/dbraw/zinc/90/13/52/655901352.db2.gz YOPUAKCHBCQWNC-CJNGLKHVSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528453 655901355 /nfs/dbraw/zinc/90/13/55/655901355.db2.gz YOPUAKCHBCQWNC-CJNGLKHVSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)c(F)cc1O ZINC000756638930 655903373 /nfs/dbraw/zinc/90/33/73/655903373.db2.gz UIBJBLBLBODDOY-GFCCVEGCSA-N 2 2 388.325 2.970 20 10 GFCDLP C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000843122032 661370062 /nfs/dbraw/zinc/37/00/62/661370062.db2.gz NQZDEUHXXMBFCY-INIZCTEOSA-N 2 2 381.362 2.514 20 10 GFCDLP C[N@H+]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000843122032 661370064 /nfs/dbraw/zinc/37/00/64/661370064.db2.gz NQZDEUHXXMBFCY-INIZCTEOSA-N 2 2 381.362 2.514 20 10 GFCDLP C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824894480 660404224 /nfs/dbraw/zinc/40/42/24/660404224.db2.gz GDWYKPZZPGDQEA-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824894480 660404225 /nfs/dbraw/zinc/40/42/25/660404225.db2.gz GDWYKPZZPGDQEA-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)CN1CC[NH+](C)CC1 ZINC000756535437 655901532 /nfs/dbraw/zinc/90/15/32/655901532.db2.gz QBKBFIWJSBGQNE-OLZOCXBDSA-N 2 2 388.325 2.828 20 10 GFCDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Br)ccc1O ZINC000756561077 655901987 /nfs/dbraw/zinc/90/19/87/655901987.db2.gz ALGDUXSMFYQMCI-CYBMUJFWSA-N 2 2 398.345 2.748 20 10 GFCDLP CC(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882886683 663044537 /nfs/dbraw/zinc/04/45/37/663044537.db2.gz HEMZKZXHEOGPNV-MRXNPFEDSA-N 2 2 388.325 2.655 20 10 GFCDLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)ccn1 ZINC000883078392 663048049 /nfs/dbraw/zinc/04/80/49/663048049.db2.gz PSYHQOCJMOJSOF-UHFFFAOYSA-N 2 2 398.276 2.919 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528454 655901338 /nfs/dbraw/zinc/90/13/38/655901338.db2.gz YOPUAKCHBCQWNC-CZUORRHYSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)ccc1O ZINC000756528454 655901340 /nfs/dbraw/zinc/90/13/40/655901340.db2.gz YOPUAKCHBCQWNC-CZUORRHYSA-N 2 2 398.345 2.748 20 10 GFCDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862241787 662276615 /nfs/dbraw/zinc/27/66/15/662276615.db2.gz ZIANDICMGADSQN-OAHLLOKOSA-N 2 2 382.346 2.757 20 10 GFCDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862241787 662276618 /nfs/dbraw/zinc/27/66/18/662276618.db2.gz ZIANDICMGADSQN-OAHLLOKOSA-N 2 2 382.346 2.757 20 10 GFCDLP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)CC1 ZINC000882993777 663046238 /nfs/dbraw/zinc/04/62/38/663046238.db2.gz HQOZRPIRRNOUTK-CQSZACIVSA-N 2 2 386.309 2.552 20 10 GFCDLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883091150 663048497 /nfs/dbraw/zinc/04/84/97/663048497.db2.gz FPFNAKMULNEIJX-UHFFFAOYSA-N 2 2 388.325 2.800 20 10 GFCDLP C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374253524 563365886 /nfs/dbraw/zinc/36/58/86/563365886.db2.gz IMAOBJXSPNTAJY-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374253524 563365888 /nfs/dbraw/zinc/36/58/88/563365888.db2.gz IMAOBJXSPNTAJY-YOEHRIQHSA-N 2 2 382.346 2.613 20 10 GFCDLP Oc1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702652545 655521656 /nfs/dbraw/zinc/52/16/56/655521656.db2.gz MARNAOGPRDELOB-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP Oc1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702652545 655521657 /nfs/dbraw/zinc/52/16/57/655521657.db2.gz MARNAOGPRDELOB-IBGZPJMESA-N 2 2 391.309 2.881 20 10 GFCDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)CN1CC[NH+](C)CC1 ZINC000756535440 655901522 /nfs/dbraw/zinc/90/15/22/655901522.db2.gz QBKBFIWJSBGQNE-STQMWFEESA-N 2 2 388.325 2.828 20 10 GFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000883049825 663047699 /nfs/dbraw/zinc/04/76/99/663047699.db2.gz WNGPDPAGHPOQID-HOTGVXAUSA-N 2 2 387.293 2.761 20 10 GFCDLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)ccc1O ZINC000375510878 563408171 /nfs/dbraw/zinc/40/81/71/563408171.db2.gz XEEFHCNFKGKOBZ-MNRXQERYSA-N 2 2 393.285 2.559 20 10 GFCDLP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)c(F)cc1O ZINC000756396983 655899231 /nfs/dbraw/zinc/89/92/31/655899231.db2.gz RATMKOAJKUWMBR-LBPRGKRZSA-N 2 2 388.325 2.970 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528394 655901327 /nfs/dbraw/zinc/90/13/27/655901327.db2.gz YGVBRAFGMOMSSM-CJNGLKHVSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1O ZINC000756528394 655901328 /nfs/dbraw/zinc/90/13/28/655901328.db2.gz YGVBRAFGMOMSSM-CJNGLKHVSA-N 2 2 398.345 2.748 20 10 GFCDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000756563996 655902071 /nfs/dbraw/zinc/90/20/71/655902071.db2.gz QQSFSFCSIIMAJI-ZDUSSCGKSA-N 2 2 398.345 2.748 20 10 GFCDLP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226897 662804138 /nfs/dbraw/zinc/80/41/38/662804138.db2.gz DKNFHRWIOVLUDF-MWLCHTKSSA-N 2 2 383.208 2.732 20 10 GFCDLP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226897 662804139 /nfs/dbraw/zinc/80/41/39/662804139.db2.gz DKNFHRWIOVLUDF-MWLCHTKSSA-N 2 2 383.208 2.732 20 10 GFCDLP